2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine

C17H33N — CID 107448582

IUPAC2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NC2CCCCCC2C)C1
InChIInChI=1S/C17H33N/c1-13(2)15-9-7-10-16(12-15)18-17-11-6-4-5-8-14(17)3/h13-18H,4-12H2,1-3H3
InChIKeyQKBQWUZETPSNJU-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds3

About 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine

2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine (PubChem CID 107448582) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
PubChem CID107448582
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NC2CCCCCC2C)C1
InChIInChI=1S/C17H33N/c1-13(2)15-9-7-10-16(12-15)18-17-11-6-4-5-8-14(17)3/h13-18H,4-12H2,1-3H3
InChIKeyQKBQWUZETPSNJU-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 107448535
N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine
CID 64596012
1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine
CID 79458526
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
2-methyl-N-(3-methylcyclobutyl)cycloheptan-1-amine
CID 104859847
2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 103917447
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 64731982
2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol
CID 103562307
1-N,1-N-dimethyl-3-N-(2-methylcyclopentyl)cyclohexane-1,3-diamine
CID 115689711
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine?
The IUPAC name of 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine (CID 107448582) is 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine?
The canonical SMILES for 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine is CC(C)C1CCCC(NC2CCCCCC2C)C1.
What is the InChIKey of 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine?
The InChIKey is QKBQWUZETPSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)15-9-7-10-16(12-15)18-17-11-6-4-5-8-14(17)3/h13-18H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine?
2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine is sourced from PubChem (CID 107448582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).